SCHEMBL5082896

SCHEMBL5082896

COC(=O)C(C(C)OC(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SRC P12931 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5082123 0.88 PDCD1 (0.51) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL5941410 0.86 TSHR (0.58) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL5082872 0.85 MEN1 (0.47) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL5083523 0.84 ALDH1A1 (0.46) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL5082327 0.81 TSHR (0.52) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL5082920 0.81 TSHR (0.55) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL569253 0.79 TSHR (0.52) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL14770956 0.78 TSHR (0.59) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL14770954 0.78 TSHR (0.59) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL442093 0.78 TSHR (0.59) TSHRKMT2AMEN1ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed